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CHEBI:46197 - {3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO-PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-7-YL}-SULFAMIC ACID

Default Structure
ChEBI IDCHEBI:46197
ChEBI Name{3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO-PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-7-YL}-SULFAMIC ACID
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC20H24N4O8S2
Net Charge0
Average Mass512.566
Monoisotopic Mass512.10356
SMILES[H]OS(=O)(=O)N([H])c1c([H])c([H])c2c(c1[H])C([H])([H])N(C(=O)C([H])([H])C([H])([H])c1c([H])c([H])c([H])c(N([H])S(=O)(=O)O[H])c1[H])[C@]([H])(C(=O)N([H])C([H])([H])[H])C2([H])[H]
InChIInChI=1S/C20H24N4O8S2/c1-21-20(26)18-11-14-6-7-17(23-34(30,31)32)10-15(14)12-24(18)19(25)8-5-13-3-2-4-16(9-13)22-33(27,28)29/h2-4,6-7,9-10,18,22-23H,5,8,11-12H2,1H3,(H,21,26)(H,27,28,29)(H,30,31,32)/t18-/m0/s1
InChIKeyVXWOHWHCMDFHJS-SFHVURJKSA-N
ChEBI Ontology
Outgoing Relation(s)
{3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO-PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-7-YL}-SULFAMIC ACID (CHEBI:46197) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(3-{3-[(3S)-3-(methylcarbamoyl)-7-(sulfoamino)-3,4-dihydroisoquinolin-2(1H)-yl]-3-oxopropyl}phenyl)sulfamic acidPDBeChem
{3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO-PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-7-YL}-SULFAMIC ACIDPDBeChem
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